2-(4-tert-butylphenyl)-5-[(5-chloro-2-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-5-[(5-chloro-2-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(4-tert-butylphenyl)-5-[(5-chloro-2-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0310 |
| Compound Name: | 2-(4-tert-butylphenyl)-5-[(5-chloro-2-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 421.93 |
| Molecular Formula: | C23 H24 Cl N5 O |
| Smiles: | Cc1ccc(cc1NCC1=CC(n2c(N1)nc(c1ccc(cc1)C(C)(C)C)n2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8904 |
| logD: | 5.6874 |
| logSw: | -6.0736 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.877 |
| InChI Key: | UMHAQXCCTMKCBE-UHFFFAOYSA-N |